Crystal structure and magnetism of MnO under pressure

S. Klotz; K. Komatsu; A. Polian; S. Machida; A. Sano-Furukawa; J.-P. Itié; T. Hattori

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Crystal structure and magnetism of MnO under pressure

机译：压力下MnO的晶体结构和磁性

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Manganese oxide is a prototype of an antiferromagnetic Mott insulator. Here, we investigate the interplay of magnetic ordering and lattice distortion across the Néel temperature T_N under pressure using neutron and x-ray diffraction. We find an increase in T_N with a rate of dT_N/dP = +4.5(5) K/GPa, an increase in the rhombohedral distortion α by dα/dP = +0.018 /GPa, as well as a volume striction which is insensitive to pressure. These results allow retrieving the dependence of the coupling constants J_1 and J_2 on interatomic distances and compare it to first-principles predictions. Antiferromagnetic diffuse scattering was observed up to ≈ 1.2T_N, and long-range magnetic order appears at room temperature at 42 GPa.

机译：氧化锰是反铁磁莫特绝缘子的原型。在这里，我们使用中子和X射线衍射研究了在压力下Néel温度T_N上的磁有序和晶格畸变的相互作用。我们发现dT_N / dP = +4.5（5）K / GPa时T_N增大，dh / dP = +0.018 / GPa时菱面体形变α增大，以及对压力。这些结果允许检索耦合常数J_1和J_2对原子间距离的依赖性，并将其与第一性原理的预测进行比较。在最高≈1.2T_N的情况下观察到反铁磁扩散散射，并且在室温下以42 GPa出现长距离磁阶。

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《Physical review》 |2020年第6期|064105.1-064105.6|共6页
作者
S. Klotz; K. Komatsu; A. Polian; S. Machida; A. Sano-Furukawa; J.-P. Itié; T. Hattori;
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IMPMC CNRS UMR 7590 Sorbonne Université 4 Place Jussieu F-75252 Paris France;

Geochemical Research Center Graduate School of Science The University of Tokyo 7-3-1 Hongo Bunkyo-ku Tokyo 113-0033 Japan;

CROSS Neutron Science and Technology Center 162-1 Shirakata Tokai Ibaraki 319-1106 Japan;

J-PARC Center Japan Atomic Energy Agency 2-4 Shirakata Tokai Ibaraki 319-1195 Japan;

Synchrotron SOLEIL Saint Aubin Boîte Postale 48 91192 Gif sur Yvette Cedex France;

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Crystal structure and magnetism of MnO under pressure

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